Crystallography Open Database

Information card for entry 7052224

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Structure parameters

Formula	C27 H35 N7
Calculated formula	C27 H35 N7
SMILES	n1c(cccc1c1nc2c(nn1)C(CCC2(C)C)(C)C)c1nc2c(nn1)C(C)(C)CCC2(C)C
Title of publication	New bis(triazinyl) pyridines for selective extraction of americium(<small>III</small>)
Authors of publication	Michael J. Hudson; Carole E. Boucher; Damien Braekers; Jean F. Desreux; Michael G. B. Drew; Mark R. St J. Foreman; Laurence M. Harwood; Clément Hill; Charles Madic; Frank Marken; Tristan G. A. Youngs
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	8
Pages of publication	1171
a	14.496 ± 0.015 Å
b	11.318 ± 0.012 Å
c	16.793 ± 0.018 Å
α	90°
β	102.403 ± 0.01°
γ	90°
Cell volume	2691 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1778
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2422
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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